SCHEMBL10062003

SCHEMBL10062003

C[C@H]1O[C@H](Br)C(F)C1OC(=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LGALS9 O00182 1/20 0.40
▸ LGALS1 P09382 1/20 0.40
▸ LGALS3 P17931 1/20 0.40
▸ LGALS7; LGALS7B P47929 1/20 0.40
▸ TSHR P16473 1/20 0.39
▸ CHRNA7 P36544 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ PTPN1 P18031 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ F2 P00734 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HTR3E A5X5Y0 1/20 0.37
▸ HTR3B O95264 1/20 0.37
▸ HTR3A P46098 1/20 0.37
▸ HTR3D Q70Z44 1/20 0.37
▸ HTR3C Q8WXA8 1/20 0.37
▸ BCHE P06276 1/20 0.36
▸ APOBEC3A P31941 1/20 0.36
▸ APOBEC3G Q9HC16 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15520935 0.85 LGALS9 (0.42) LGALS9LGALS1LGALS3LGALS7; LGALS7BTSHR
SCHEMBL4664095 0.85 LGALS9 (0.42) LGALS9LGALS1LGALS3LGALS7; LGALS7BTSHR
SCHEMBL14293980 0.85 LGALS9 (0.42) LGALS9LGALS1LGALS3LGALS7; LGALS7BTSHR
SCHEMBL16815111 0.85 LGALS9 (0.42) LGALS9LGALS1LGALS3LGALS7; LGALS7BTSHR
SCHEMBL14268495 0.85 LGALS9 (0.42) LGALS9LGALS1LGALS3LGALS7; LGALS7BTSHR
SCHEMBL7361176 0.85 LGALS9 (0.42) LGALS9LGALS1LGALS3LGALS7; LGALS7BTSHR
SCHEMBL4826392 0.85 LGALS9 (0.42) LGALS9LGALS1LGALS3LGALS7; LGALS7BTSHR
SCHEMBL5035219 0.85 LGALS9 (0.42) LGALS9LGALS1LGALS3LGALS7; LGALS7BTSHR
SCHEMBL28758982 0.84 LGALS9 (0.41) LGALS9LGALS1LGALS3LGALS7; LGALS7BTSHR
SCHEMBL16812930 0.82 LGALS9 (0.42) LGALS9LGALS1LGALS3LGALS7; LGALS7BTSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2404926-A1 Preparation of 2-chloro-9-(2'-deoxy-2'-fluoro-beta-D-arabinofuranosyl)-adenine ScinoPharm Taiwan, Ltd. (TW) 2012-01-11 — — EP disclosed
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